N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C17H20ClN3OS MolecularWeight: 349.8782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NC2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3OS/c1-10-13(11(2)21(3)20-10)9-17(22)19-15-6-7-23-16-5-4-12(18)8-14(15)16/h4-5,8,15H,6-7,9H2,1-3H3,(H,19,22)